![2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide structure](/static/products/6001/600159-00-0.webp)
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
TL;DR: 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 600159-00-0) is a chemical compound with molecular formula C13H12F3N3O2S and molecular weight 331.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Also Known As: BAS 06979539, 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide, 2-Phenoxy-N-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-butyramide, 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butyramide, 2-phenoxy-N-[5-(trifluoromethyl)(1,3,4-thiadiazol-2-yl)]butanamide
| Molecular Formula | C13H12F3N3O2S |
|---|---|
| Molecular Weight | 331.06 g/mol |
| LogP | 3.353 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.06024 |
| Heavy Atoms | 22 |
| Complexity | 630.9606 |
Chemical Identifiers
| CAS Number | 600159-00-0 |
|---|---|
| SMILES | CCC(C(=O)NC1=NN=C(S1)C(F)(F)F)OC2=CC=CC=C2 |
Product Overview
2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide (CAS 600159-00-0), with molecular formula C13H12F3N3O2S and molecular weight 331.06 g/mol. IUPAC: 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide.
Chemical Property Profile of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
Property Insights of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
The XLogP value of 3.353 indicates that 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide. Following Lipinski's Rule of Five, 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The CAS number of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is 600159-00-0.
What is the molecular formula of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular formula of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is C13H12F3N3O2S.
What is the molecular weight of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The molecular weight of 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide is 331.06 g/mol.
Where can I buy 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
You can request a quote for 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.